Theoretical Study of CH4 and CO2 Separation by IRMOFs

Porous materials such as isoreticular metal-organic frameworks (IRMOFs) can be applied in several areas that explore the physical adsorption. An area that has gained prominence is fuel gas storage, as it provides the storage of a large amount of gas at low pressure and the purification of combustible gas due to the selectivity of the different chemical environments of its pores. IRMOFs represent an ideal study group due to their wide range of pore sizes resulting from the use of different organic ligands. In this context, exploring IRMOFs that adsorb more efficiently stands out, mainly for optimizing the ligand, pressure, and temperature. This work focused on the adsorption and separation of CH